HRID2129216

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID2783322

4-Amino-3-iodobenzotrifluoride

C7H5F3IN

HCID22327867

未命名化合物

PRODUCTS

生成物

HCID13750437

2-Methyl-4-(trifluoromethyl)aniline

C8H8F3N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d9b3d37e89764e6ca199bbf55e5a05b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:22](=[O:23])([O-:24])[O-:25].[CH3:13][C:14]1([CH3:15])[CH2:16][CH2:17][CH2:18][B:19]([CH3:20])[O:21]1.[I:1][c:2]1[c:3]([NH2:4])[cH:5][cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1.[K+:26].[K+:27].[O:28]=[CH:29][N:30]([CH3:31])[CH3:32].[Pd:33].[c:34]1([P:35]([c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[cH:48][cH:49][cH:50][cH:51][cH:52]1.[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1.[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1.[c:91]1([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106][cH:107][cH:108][cH:109]1>>[c:2]1([CH3:13])[c:3]([NH2:4])[cH:5][cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1